(1E,3E,5E)-7-iminohepta-1,3,5-trien-1-amine

C7H10N2 — CID 101125006

IUPAC(1E,3E,5E)-7-iminohepta-1,3,5-trien-1-amine
SMILES[H]/N=C/C=C/C=C/C=C/N
InChIInChI=1S/C7H10N2/c8-6-4-2-1-3-5-7-9/h1-8H,9H2/b3-1+,4-2+,7-5+,8-6+
InChIKeyGJAUEYWGNXAOTF-QEQQUMNJSA-N
MW122.17 g/mol
LogP1.22
Rot. Bonds3

About (1E,3E,5E)-7-iminohepta-1,3,5-trien-1-amine

(1E,3E,5E)-7-iminohepta-1,3,5-trien-1-amine (PubChem CID 101125006) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is (1E,3E,5E)-7-iminohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3E,5E)-7-iminohepta-1,3,5-trien-1-amine
PubChem CID101125006
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name(1E,3E,5E)-7-iminohepta-1,3,5-trien-1-amine
SMILES[H]/N=C/C=C/C=C/C=C/N
InChIInChI=1S/C7H10N2/c8-6-4-2-1-3-5-7-9/h1-8H,9H2/b3-1+,4-2+,7-5+,8-6+
InChIKeyGJAUEYWGNXAOTF-QEQQUMNJSA-N
XLogP1.22
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,3E,5E)-7-iminohepta-1,3,5-trien-1-amine?
The IUPAC name of (1E,3E,5E)-7-iminohepta-1,3,5-trien-1-amine (CID 101125006) is (1E,3E,5E)-7-iminohepta-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3E,5E)-7-iminohepta-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3E,5E)-7-iminohepta-1,3,5-trien-1-amine is [H]/N=C/C=C/C=C/C=C/N.
What is the InChIKey of (1E,3E,5E)-7-iminohepta-1,3,5-trien-1-amine?
The InChIKey is GJAUEYWGNXAOTF-QEQQUMNJSA-N. The full InChI is InChI=1S/C7H10N2/c8-6-4-2-1-3-5-7-9/h1-8H,9H2/b3-1+,4-2+,7-5+,8-6+.
What are the key properties of (1E,3E,5E)-7-iminohepta-1,3,5-trien-1-amine?
(1E,3E,5E)-7-iminohepta-1,3,5-trien-1-amine has a molecular weight of 122.17 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5E)-7-iminohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 101125006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).